3-[[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoic acid

Systemtic Name: 3-[[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoic acid Openeye Name: 3-[[2-(3,4-dimethylanilino)-2-oxo-ethyl]sulfanylmethyl]benzoic acid CAS Name: 3-[[[2-(3,4-dimethylanilino)-2-oxoethyl]thio]methyl]benzoic acid IUPAC Name: 3-[[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanylmethyl]benzoic acid Traditional Name: 3-[[[2-(3,4-dimethylanilino)-2-keto-ethyl]thio]methyl]benzoic acid Formula: C18H19NO3S MolecularWeight: 329.41336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSCC2=CC=CC(=C2)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSCC2=CC=CC(=C2)C(=O)O)C

InChI

InChI=1S/C18H19NO3S/c1-12-6-7-16(8-13(12)2)19-17(20)11-23-10-14-4-3-5-15(9-14)18(21)22/h3-9H,10-11H2,1-2H3,(H,19,20)(H,21,22)